Geometry & MOs

Info

ID:	225353
PubChem CID:	85756505
Reduced:	SO2N4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	5.62
Dipole, Da:	7.12
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-2,3,4,5-tetrahydro-1-benzazepine-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations